methyl (E)-3-(2-acetamido-3-methylsulfanyl-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-3-(2-acetamido-3-methylsulfanyl-phenyl)prop-2-enoate Openeye Name: methyl (E)-3-(2-acetamido-3-methylsulfanyl-phenyl)prop-2-enoate CAS Name: (E)-3-[2-acetamido-3-(methylthio)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-acetamido-3-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[2-acetamido-3-(methylthio)phenyl]acrylic acid methyl ester Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC=C1SC)C=CC(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC=C1SC)/C=C/C(=O)OC

InChI

InChI=1S/C13H15NO3S/c1-9(15)14-13-10(7-8-12(16)17-2)5-4-6-11(13)18-3/h4-8H,1-3H3,(H,14,15)/b8-7+